CID 439712

(2s)-flavan-4-ol

Structural Information

Molecular Formula
C15H14O2
SMILES
C1[C@H](OC2=CC=CC=C2C1O)C3=CC=CC=C3
InChI
InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13?,15-/m0/s1
InChIKey
YTMFRMLVZQOBDR-WUJWULDRSA-N
Compound name
(2S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

796
Patents

226.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 148.2
[M+Na]+ 249.088598 155.4
[M-H]- 225.092104 155.0
[M+NH4]+ 244.133203 165.2
[M+K]+ 265.062538 152.2
[M+H-H2O]+ 209.096640 141.1
[M+HCOO]- 271.097581 167.3
[M+CH3COO]- 285.113231 160.6
[M+Na-2H]- 247.074046 155.9
[M]+ 226.09883142 146.0
[M]- 226.09992858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe